ChemDB: Chemical Search
Download
Chemical ID: 7347869
Chemical ID:
7347869
Name [?]:
N,N'-bis(2-acetamidoethyl)terephthalamide
SMILES [?]:
CC(=O)NCCNC(=O)c1ccc(cc1)C(=O)NCCNC(=O)C
InChi [?]:
InChI=1/C16H22N4O4/c1-11(21)17-7-9-19-15(23)13-3-5-14(6-4-13)16(24)20-10-8-18-12(2)22/h3-6H,7-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,23)(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,24,11,15,12,14,5,20,6,19,2,22,10,13,8,16,4,21,7,18,3,23,9,17/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/gE:(1,2)(3,4)/rA:24nCCONCCNCOCCCCCCCONCCNCOC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;s19;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N4O4 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0366 |
Area: | 612.107 |
Solvation: | -5.26609 |
Coulombic: | -82.2125 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 334.37 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | -0.17 |
LogP (Chemaxon): | -2.09 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|